ADL: How to get highest binding energy

Oleg Trott trott at
Fri Nov 15 15:58:18 PST 2013


If by "highest binding energy" you mean "most likely to bind in a set
of ligands", then the Vina manual includes a Python script in the
section titled "Selecting Best Results". You may want to read other
sections of the manual as well.

On Thu, Nov 14, 2013 at 1:35 PM, Mahesh <vmahesh at> wrote:
> Dear all,
> Could some help me to get highest binding energy in Autodock vina, What are
> all the parameter need to change for getting highest binding energy ?
> Thnaking you,
> regards
> Mahesh
> ________________________________________________
> --- ADL: AutoDock List  --- ---

Oleg Trott, Ph.D. (Columbia University)

Staff Scientist in the Olson Lab
The Scripps Research Institute

More information about the autodock mailing list